T_Molecular_potential_energy_Lennard_Jones_term< ConformationType, CovalentStructure, PotentialEnergyParameters > Class Template Reference

Defines the standard term associated to the Lennard Jones contribution. More...

#include <Molecular_potential_energy.hpp>

Public Types
typedef T_Molecular_potential_energy_Lennard_Jones_term< ConformationType, CovalentStructure, PotentialEnergyParameters >	Self
typedef ConformationType	Conformation
typedef PotentialEnergyParameters	Potential_energy_parameters
typedef T_Molecular_primitive_internal_coordinates< Conformation, CovalentStructure >	Internal_coordinates
typedef SBL::Models::T_Conformation_traits< Conformation >	Conformation_traits
typedef Conformation_traits::FT	FT
typedef CovalentStructure::Particle_rep	Particle_rep
typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity	Molar_energy_quantity

Public Member Functions
Molar_energy_quantity	operator() (const ConformationType &C, const CovalentStructure &S, const std::pair< Particle_rep, Particle_rep > &p) const

Static Public Attributes
static bool	s_dump_flag
static std::string	s_ofname
static std::ofstream	s_ostream

Detailed Description

template<class ConformationType, class CovalentStructure, class PotentialEnergyParameters>
class SBL::CSB::T_Molecular_potential_energy_Lennard_Jones_term< ConformationType, CovalentStructure, PotentialEnergyParameters >

Defines the standard term associated to the Lennard Jones contribution.

Defines the standard term associated to the Lennard Jones contribution.

Template Parameters

ConformationType	The type of the input geometric conformation, as defined in the package ConformationTraits
CovalentStructure	The type of the input covalent structure, as defined in the package Molecular_covalent_structure
PotentialEnergyParameters	Class defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters

Member Typedef Documentation

Conformation

typedef ConformationType Conformation

Conformation_traits

typedef SBL::Models::T_Conformation_traits<Conformation> Conformation_traits

FT

typedef Conformation_traits::FT FT

Internal_coordinates

typedef T_Molecular_primitive_internal_coordinates<Conformation, CovalentStructure> Internal_coordinates

Molar_energy_quantity

typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity

Particle_rep

typedef CovalentStructure::Particle_rep Particle_rep

Potential_energy_parameters

typedef PotentialEnergyParameters Potential_energy_parameters

Self

typedef T_Molecular_potential_energy_Lennard_Jones_term<ConformationType, CovalentStructure,PotentialEnergyParameters> Self

Member Function Documentation

operator()()

T_Molecular_potential_energy_Lennard_Jones_term< ConformationType, CovalentStructure, PotentialEnergyParameters >::Molar_energy_quantity operator() ( const ConformationType &  C, const CovalentStructure &  S, const std::pair< Particle_rep, Particle_rep > &  p  ) const

inline

Member Data Documentation

s_dump_flag

bool s_dump_flag

staticinherited

s_ofname

std::string s_ofname

staticinherited

s_ostream

std::ofstream s_ostream

staticinherited